1-benzyl-N-[5-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzylpyrazole-4-carboxylic acid

C42H35N7O6S — CID 159423079

IUPAC1-benzyl-N-[5-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzylpyrazole-4-carboxylic acid
SMILESCc1ccc(S(=O)(=O)n2cc(NC(=O)c3cnn(Cc4ccccc4)c3)c3cc(-c4ccc(O)cc4)cnc32)cc1.O=C(O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C31H25N5O4S.C11H10N2O2/c1-21-7-13-27(14-8-21)41(39,40)36-20-29(28-15-24(16-32-30(28)36)23-9-11-26(37)12-10-23)34-31(38)25-17-33-35(19-25)18-22-5-3-2-4-6-22;14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h2-17,19-20,37H,18H2,1H3,(H,34,38);1-6,8H,7H2,(H,14,15)
InChIKeyLPZVILVASREXHY-UHFFFAOYSA-N
MW765.85 g/mol
LogP7.08
Rot. Bonds10

About 1-benzyl-N-[5-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzylpyrazole-4-carboxylic acid

1-benzyl-N-[5-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzylpyrazole-4-carboxylic acid (PubChem CID 159423079) has the molecular formula C42H35N7O6S and a molecular weight of 765.85 g/mol. Its IUPAC name is 1-benzyl-N-[5-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-N-[5-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzylpyrazole-4-carboxylic acid
PubChem CID159423079
Molecular FormulaC42H35N7O6S
Molecular Weight765.85 g/mol
Exact Mass765.24
IUPAC Name1-benzyl-N-[5-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzylpyrazole-4-carboxylic acid
SMILESCc1ccc(S(=O)(=O)n2cc(NC(=O)c3cnn(Cc4ccccc4)c3)c3cc(-c4ccc(O)cc4)cnc32)cc1.O=C(O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C31H25N5O4S.C11H10N2O2/c1-21-7-13-27(14-8-21)41(39,40)36-20-29(28-15-24(16-32-30(28)36)23-9-11-26(37)12-10-23)34-31(38)25-17-33-35(19-25)18-22-5-3-2-4-6-22;14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h2-17,19-20,37H,18H2,1H3,(H,34,38);1-6,8H,7H2,(H,14,15)
InChIKeyLPZVILVASREXHY-UHFFFAOYSA-N
XLogP7.08
TPSA174.23 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500765.85
LogP ≤ 57.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 1-benzyl-N-[5-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzylpyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide
CID 123169593
4-[1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-3-yl]phenol
CID 70648845
tert-butyl 4-[4-[3-(1-benzylpyrazol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]piperazine-1-carboxylate
CID 118523915
1-benzyl-N-[5-bromo-1-(4-methylphenyl)sulfonyl-5,6-dihydropyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide
CID 123724560
1-benzyl-N-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide
CID 71678285
1-benzyl-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide
CID 71679960
1-benzyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide
CID 155913353
2-methyl-2-[4-[1-(4-methylphenyl)sulfonyl-5-phenylpyrrolo[2,3-b]pyridin-3-yl]phenyl]propanoic acid
CID 135062758
1-[4-[3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]piperidin-4-ol
CID 90031406
1-benzyl-N-[5-[4-[2-(dimethylamino)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide
CID 156576917
N-[3-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 118523966
3-(1-benzylpyrazol-4-yl)-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine
CID 72943450

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[5-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzylpyrazole-4-carboxylic acid?
The IUPAC name of 1-benzyl-N-[5-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzylpyrazole-4-carboxylic acid (CID 159423079) is 1-benzyl-N-[5-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-benzyl-N-[5-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-benzyl-N-[5-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzylpyrazole-4-carboxylic acid is Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3cnn(Cc4ccccc4)c3)c3cc(-c4ccc(O)cc4)cnc32)cc1.O=C(O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[5-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzylpyrazole-4-carboxylic acid?
The InChIKey is LPZVILVASREXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N5O4S.C11H10N2O2/c1-21-7-13-27(14-8-21)41(39,40)36-20-29(28-15-24(16-32-30(28)36)23-9-11-26(37)12-10-23)34-31(38)25-17-33-35(19-25)18-22-5-3-2-4-6-22;14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h2-17,19-20,37H,18H2,1H3,(H,34,38);1-6,8H,7H2,(H,14,15).
What are the key properties of 1-benzyl-N-[5-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzylpyrazole-4-carboxylic acid?
1-benzyl-N-[5-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzylpyrazole-4-carboxylic acid has a molecular weight of 765.85 g/mol, XLogP of 7.08, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[5-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzylpyrazole-4-carboxylic acid is sourced from PubChem (CID 159423079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).